CID 549543

2-ethenyl-2,5-dimethyl-4-hexen-1-ol

Structural Information

Molecular Formula
C10H18O
SMILES
CC(=CCC(C)(CO)C=C)C
InChI
InChI=1S/C10H18O/c1-5-10(4,8-11)7-6-9(2)3/h5-6,11H,1,7-8H2,2-4H3
InChIKey
JTJTYGUNUFOHNA-UHFFFAOYSA-N
Compound name
2-ethenyl-2,5-dimethylhex-4-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

154.13577 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 138.5
[M+Na]+ 177.12499 147.7
[M+NH4]+ 172.16959 145.5
[M+K]+ 193.09893 142.5
[M-H]- 153.12849 136.6
[M+Na-2H]- 175.11044 140.8
[M]+ 154.13522 139.0
[M]- 154.13632 139.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe